Abstract
This study explores the effects of impurity cations (Mg²+, La³+, Ce³+, and La-Ce systems) in industrial ammonium sulfate wastewater on the morphology and growth mechanism of hemihydrate calcium sulfate whiskers (HH-CSW). HH-CSW was synthesized via the hydrothermal method using analytical-grade reagents and characterized by XRD and SEM. Molecular dynamics simulations revealed that low concentrations of Mg²+ (5–10 g/L) and La³+/Ce³+ (0.02–0.03 g/L) promote whisker growth with high aspect ratios, while high concentrations inhibit it. Interaction energy rankings indicated preferential growth along the c-axis, yielding needle-like structures. These findings emphasize the importance of controlling cation concentrations to optimize whisker morphology.
Published Version
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